Details of the Drug

General Information of Drug (ID: DM7EW5U)

• Drug Name: PMID29473428-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 387.3
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H19BrN4O2S
  IUPAC Name: 7-bromo-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)imidazo[1,5-a]pyridine
  Canonical SMILES: CC1(CN(CCN1S(=O)(=O)C)C2=CC(=CC3=CN=CN23)Br)C
  InChI: InChI=1S/C14H19BrN4O2S/c1-14(2)9-17(4-5-19(14)22(3,20)21)13-7-11(15)6-12-8-16-10-18(12)13/h6-8,10H,4-5,9H2,1-3H3
  InChIKey: MJEJSWKBPXDOCH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 124189844
  TTD ID: D0L9BG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Not Available	[1]

References

• [1] A patent review of IDO1 inhibitors for cancer.Expert Opin Ther Pat. 2018 Apr;28(4):317-330.